2-chloranyl-7-ethoxy-3-[2-methylsulfonyl-5-(3-nitrophenyl)-3,4-dihydropyrazol-3-yl]quinoline

Systemtic Name: 2-chloranyl-7-ethoxy-3-[2-methylsulfonyl-5-(3-nitrophenyl)-3,4-dihydropyrazol-3-yl]quinoline Openeye Name: 2-chloro-7-ethoxy-3-[2-methylsulfonyl-5-(3-nitrophenyl)-3,4-dihydropyrazol-3-yl]quinoline CAS Name: 2-chloro-7-ethoxy-3-[2-methylsulfonyl-5-(3-nitrophenyl)-3,4-dihydropyrazol-3-yl]quinoline IUPAC Name: 2-chloro-7-ethoxy-3-[2-methylsulfonyl-5-(3-nitrophenyl)-3,4-dihydropyrazol-3-yl]quinoline Traditional Name: 2-chloro-7-ethoxy-3-[2-mesyl-5-(3-nitrophenyl)-2-pyrazolin-3-yl]quinoline Formula: C21H19ClN4O5S MolecularWeight: 474.91736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3S(=O)(=O)C)C4=CC(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3S(=O)(=O)C)C4=CC(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H19ClN4O5S/c1-3-31-16-8-7-14-10-17(21(22)23-18(14)11-16)20-12-19(24-25(20)32(2,29)30)13-5-4-6-15(9-13)26(27)28/h4-11,20H,3,12H2,1-2H3